For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-isoxazolecarboxylic acid, 5-[[6-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methyl]-4,5-dihydro-, ethyl ester

View entire compound with spectra: 1 NMR

3-isoxazolecarboxylic acid, 5-[[6-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methyl]-4,5-dihydro-, ethyl ester
SpectraBase Compound ID H0beXUQecaU
InChI InChI=1S/C20H21N3O8/c1-4-28-20(25)14-7-11(31-23-14)6-13-12(5-10(8-21)19(22)24)15(26-2)17-18(16(13)27-3)30-9-29-17/h5,11H,4,6-7,9H2,1-3H3,(H2,22,24)/b10-5+
InChIKey YEIRAWYUYXFBTH-BJMVGYQFSA-N
Mol Weight 431.4 g/mol
Molecular Formula C20H21N3O8
Exact Mass 431.132865 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A7grloSQFM
Name 3-isoxazolecarboxylic acid, 5-[[6-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methyl]-4,5-dihydro-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H21N3O8/c1-4-28-20(25)14-7-11(31-23-14)6-13-12(5-10(8-21)19(22)24)15(26-2)17-18(16(13)27-3)30-9-29-17/h5,11H,4,6-7,9H2,1-3H3,(H2,22,24)/b10-5+
InChIKey YEIRAWYUYXFBTH-BJMVGYQFSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5181
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/17311396; Labnumber: 241